A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannels

2020 ◽  
Vol 22 (16) ◽  
pp. 9110-9116
Author(s):  
Xiaoyu Hu ◽  
Yiling Nan ◽  
Xian Kong ◽  
Diannan Lu ◽  
Jianzhong Wu

Schematic illustration of the hybrid method model. ρ is the net charge density calculated from cDFT. v is the velocity calculated from non-equilibrium MD simulation. b and αW are the slipping length and the surface properties, respectively.

2021 ◽  
Author(s):  
Chao Shen ◽  
Yufei Zhou ◽  
Lai Gao

2022 ◽  
Author(s):  
Qi Sun ◽  
Weipeng Xian ◽  
Xiuhui Zuo ◽  
Changjia Zhu ◽  
Qing Guo ◽  
...  

Abstract The development of efficient thermo-osmotic energy conversion devices has fascinated scientists and engineers for several decades in terms of satisfying the growing energy demand. The fabrication of ionic membranes with a high charge population is known to be a critical factor in the design of high-performance power generators for achieving high permselectivity and, consequently, high power extraction efficiency. Herein, we experimentally demonstrated that the thermo-osmotic energy conversion efficiency was improved by increasing the membrane charge density; however, this enhancement occurred only within a narrow window and subsequently exhibited a plateau over a threshold density. The complex interplay between pore−pore interactions and fluid structuration for ion transport across the upscaled nanoporous membranes helped explain the obtained results with the aid of numerical simulations. Consequently, the power generation efficiency of the multipore membrane deteriorated, deviating considerably from the case of simple linear extrapolation of the behavior of the single-pore counterparts. A plateau in the output electric power was observed at a moderate charge density, affording a value of 210 W m−2 at a 50-fold salinity difference with a temperature gradient of 40 K. This study has far-reaching implications for discerning an optimal range of membrane charge populations for augmenting the energy extraction, rather than intuitively focusing on achieving high densities.


2002 ◽  
Vol 91 (7) ◽  
pp. 4281-4290 ◽  
Author(s):  
B. Cvikl ◽  
D. Korošak

CrystEngComm ◽  
2018 ◽  
Vol 20 (47) ◽  
pp. 7688-7699 ◽  
Author(s):  
Alexander I. Loskutov ◽  
Boris V. Lokshin ◽  
Tatiana A. Gudasheva ◽  
Vadim B. Oshurko ◽  
Nestor Solis Pinargote ◽  
...  

A critical role of the net charge of molecule and nature of interfaces on the structure and properties of crystallized dipeptide layers was established.


Author(s):  
Yang Liu ◽  
Hassan Raza ◽  
Timothy S. Fisher

Even though the theory of thermionic emission of electrons from bulk metals is well understood, discrete electron energy states exist when material length scales approach one nanometer, and the traditional treatment must be revised. This paper presents a theoretical development of thermionic emission from nanoscale materials. A general expression for the emitted current as a function of field, temperature and work function is established for a quantum wire. The results differ from those of 3-D bulk materials. Simulation of thermionic emission from a quantum wire is achieved with the non-equilibrium Green’s function (NEGF) method, which includes relevant mesocopic physics and has been widely applied to transport problems in nanostructures. The NEGF approach provides a powerful solution to modeling problems when interfacial transport effects between bulk and confined conductors are important. Both the theoretical and simulated results indicate a higher current density and thus higher energy conversion capacity than that of a bulk material with the same work function. Thus the quantum confined materials may provide a method for improving the capacity of direct energy conversion devices and systems.


1981 ◽  
Vol 59 (13) ◽  
pp. 1888-1897 ◽  
Author(s):  
G. M. Bell ◽  
G. C. Peterson

A method previously developed by the authors is used to study the effects of adsorption of ions on the electric double layer interaction between dissimilar colloidal plates immersed in 1:1 electrolyte. For adsorption models which permit the total charge on a plate to change sign, the double layer force remains finite at all plate separations, including zero. For weak adsorption of the ions on the plates the force between two dissimilar plates tends to be repulsive at small separations, looking rather like a weakened constant surface charge density model. Conversely for strong ionic adsorption the force tends to be attractive at small separations, rather as in the constant surface potential model. In this paper we discuss three adsorption models: (1) fixed primary charge density on the plates with secondary adsorption of both counter-ions and co-ions; (2) fixed primary charge density on the plates with secondary adsorption of the counter-ions only, but including the effects of a Stern layer and self-atmosphere potentials; (3) zero primary charge on both plates with equilibrium adsorption of both anions and cations from solution, the net charge density on the plates arising from differential adsorption of the ion types.


2022 ◽  
Author(s):  
Chao Shen ◽  
Yufei Zhou ◽  
Lai Gao ◽  
Zuyin Pu ◽  
Xiaogang Wang ◽  
...  

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